N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine

C13H14Cl3NO — CID 60889636

IUPACN-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(Cl)COc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C13H14Cl3NO/c1-8(14)7-18-13-9(6-17-11-2-3-11)4-10(15)5-12(13)16/h4-5,11,17H,1-3,6-7H2
InChIKeyRSSIPQOZZLROPE-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.38
Rot. Bonds6

About N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine

N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60889636) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
PubChem CID60889636
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC NameN-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(Cl)COc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C13H14Cl3NO/c1-8(14)7-18-13-9(6-17-11-2-3-11)4-10(15)5-12(13)16/h4-5,11,17H,1-3,6-7H2
InChIKeyRSSIPQOZZLROPE-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43515875
N-[[3,5-dichloro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]cyclopropanamine
CID 103032725
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664949
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine (CID 60889636) is N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine is C=C(Cl)COc1c(Cl)cc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is RSSIPQOZZLROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c1-8(14)7-18-13-9(6-17-11-2-3-11)4-10(15)5-12(13)16/h4-5,11,17H,1-3,6-7H2.
What are the key properties of N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 306.62 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60889636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).